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3-(Phenylsulfonyl)propionic acid, methyl ester
SpectraBase Compound ID 1zdnLBlrVAi
InChI InChI=1S/C10H12O4S/c1-14-10(11)7-8-15(12,13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey WWSDWMABULBZIZ-UHFFFAOYSA-N
Mol Weight 228.26 g/mol
Molecular Formula C10H12O4S
Exact Mass 228.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0r8BLFazTM
Name Methyl 3-(phenylsulfonyl)propanoate
Appearance Colorless oil
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Exact Mass 228.045630036 u
Formula C10H12O4S
InChI InChI=1S/C10H12O4S/c1-14-10(11)7-8-15(12,13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey WWSDWMABULBZIZ-UHFFFAOYSA-N
Instrument Name Shimazdu QP-5000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201702892
Molecular Weight 228.262 g/mol
Quality 261
SMILES C(S(C1=CC=CC=C1)(=O)=O)CC(OC)=O
SPLASH splash10-0fb9-9500000000-e9c247a7d0dd74fa7e2a
Source of Spectrum QE-23-SM10-6k (DOI: 10.1002/chem.201702892)
Thin-Layer Chromatography 0.47 (Hexane/AcOEt, 1:1)
Wiley ID 1905652